Butanone

Butanone

SCHEMBL28158317

C=C(C)C(=O)OCCC[Si](C)(OCC)OCC.CCC(C)=O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
THRB P10828 1/20 0.47
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 3/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL63717 0.95 TSHR (0.54) TSHRTHRBTDP1POLBAPEX1
SCHEMBL28347564 0.94 TSHR (0.53) TSHRTHRBTDP1POLBAPEX1
SCHEMBL4361747 0.93 TSHR (0.49) TSHRTHRBTDP1POLBAPEX1
Alcohol SCHEMBL28778173 0.92 TSHR (0.51) TSHRTHRBTDP1POLBAPEX1
SCHEMBL221515 0.91 TSHR (0.50) TSHRTHRBTDP1POLBAPEX1
SCHEMBL486167 0.91 TSHR (0.57) TSHRTHRBTDP1POLBAPEX1
SCHEMBL28863333 0.90 TSHR (0.49) TSHRTHRBTDP1POLBAPEX1
SCHEMBL25812313 0.90 TSHR (0.53) TSHRTHRBTDP1POLBAPEX1
SCHEMBL7940214 0.90 TSHR (0.49) TSHRTHRBTDP1POLBAPEX1
SCHEMBL16223414 0.89 TSHR (0.60) TSHRTHRBTDP1POLBAPEX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106905842-A Wear-resisting super-hydrophobic self-cleaning coating and preparation method thereof 昆山市板明电子科技有限公司 2017-06-30 CN disclosed